CID 30620

7475-61-8

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H14O3/c1-18-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)

InChIKey

YNDNIPMGZASSRG-UHFFFAOYSA-N

Compound name

2-methoxy-2,2-diphenylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 698
Patents: 242.0943 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.10158	153.7
[M+Na]+	265.08352	159.7
[M-H]-	241.08702	158.9
[M+NH4]+	260.12812	169.9
[M+K]+	281.05746	156.8
[M+H-H2O]+	225.09156	146.8
[M+HCOO]-	287.09250	174.5
[M+CH3COO]-	301.10815	188.9
[M+Na-2H]-	263.06897	160.4
[M]+	242.09375	153.8
[M]-	242.09485	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe